[(1-cyclohexylidene-2-phenylethyl)amino] acetate

C16H21NO2 — CID 57203425

IUPAC[(1-cyclohexylidene-2-phenylethyl)amino] acetate
SMILESCC(=O)ONC(Cc1ccccc1)=C1CCCCC1
InChIInChI=1S/C16H21NO2/c1-13(18)19-17-16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2,4-5,8-9,17H,3,6-7,10-12H2,1H3
InChIKeyLNPTUXHCQLOZDE-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.52
Rot. Bonds4

About [(1-cyclohexylidene-2-phenylethyl)amino] acetate

[(1-cyclohexylidene-2-phenylethyl)amino] acetate (PubChem CID 57203425) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [(1-cyclohexylidene-2-phenylethyl)amino] acetate.

Molecular Properties

Compound Name[(1-cyclohexylidene-2-phenylethyl)amino] acetate
PubChem CID57203425
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[(1-cyclohexylidene-2-phenylethyl)amino] acetate
SMILESCC(=O)ONC(Cc1ccccc1)=C1CCCCC1
InChIInChI=1S/C16H21NO2/c1-13(18)19-17-16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2,4-5,8-9,17H,3,6-7,10-12H2,1H3
InChIKeyLNPTUXHCQLOZDE-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acetic acid;1,1-diphenylprop-1-en-2-ylazanide;palladium
CID 134838406
(1-Phenylethylamino) acetate
CID 13587231
2-Amino-3-phenylprop-1-en-1-one
CID 19968660
1-Phenylpropan-2-ylazanium acetate
CID 19982931
Acetic acid;2-methyl-1-phenylpropan-2-amine
CID 22121376
Ethane;methyl acetate;2-methyl-1-phenylpropan-2-amine
CID 54508281
[(2-Benzylcyclopenten-1-yl)amino] butanoate
CID 57207233
Acetic acid;ethene;2-methyl-1-phenylpropan-2-amine
CID 69611613
(4-Phenylbutylamino) acetate;hydrochloride
CID 87878982
Acetamido acetate;1,1'-biphenyl
CID 88727809
[(4-Phenylcyclohexyl)amino] acetate
CID 91400059
3-benzyl-2H-1,2-oxazol-5-one
CID 92475370

Frequently Asked Questions

What is the IUPAC name of [(1-cyclohexylidene-2-phenylethyl)amino] acetate?
The IUPAC name of [(1-cyclohexylidene-2-phenylethyl)amino] acetate (CID 57203425) is [(1-cyclohexylidene-2-phenylethyl)amino] acetate.
What is the SMILES notation for [(1-cyclohexylidene-2-phenylethyl)amino] acetate?
The canonical SMILES for [(1-cyclohexylidene-2-phenylethyl)amino] acetate is CC(=O)ONC(Cc1ccccc1)=C1CCCCC1.
What is the InChIKey of [(1-cyclohexylidene-2-phenylethyl)amino] acetate?
The InChIKey is LNPTUXHCQLOZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-13(18)19-17-16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2,4-5,8-9,17H,3,6-7,10-12H2,1H3.
What are the key properties of [(1-cyclohexylidene-2-phenylethyl)amino] acetate?
[(1-cyclohexylidene-2-phenylethyl)amino] acetate has a molecular weight of 259.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-cyclohexylidene-2-phenylethyl)amino] acetate is sourced from PubChem (CID 57203425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).